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Name |
3,5-Dichloro-4-picoline |
EINECS | -0 |
CAS No. | 100868-46-0 | Density | 1.319g/cm3 |
PSA | 12.89000 | LogP | 2.69680 |
Solubility | N/A | Melting Point |
49 °C |
Formula | C6H5Cl2N | Boiling Point | 203.615 °C at 760 mmHg |
Molecular Weight | 162.018 | Flash Point | 95.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Picoline,3,5-dichloro- (6CI);3,5-Dichloro-4-methylpyridine;3,5-Dichloro-4-picoline; |
Article Data | 1 |
The 3,5-Dichloro-4-picoline with the CAS number 100868-46-0 is also called Pyridine,3,5-dichloro-4-methyl-. The IUPAC name is 3,5-dichloro-4-methylpyridine. Its molecular formula is C6H5Cl2N. This chemical belongs to the following product categories: (1)Pharmacetical; (2)Pyridine. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 3,5-Dichloro-4-picoline are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 57; (6)ACD/BCF (pH 7.4): 57; (7)ACD/KOC (pH 5.5): 626; (8)ACD/KOC (pH 7.4): 626; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 38.959 cm3; (15)Molar Volume: 122.834 cm3; (16)Polarizability: 15.445×10-24cm3; (17)Surface Tension: 40.99 dyne/cm; (18)Enthalpy of Vaporization: 42.187 kJ/mol; (19)Vapour Pressure: 0.392 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cncc1Cl)Cl
(2)InChI: InChI=1/C6H5Cl2N/c1-4-5(7)2-9-3-6(4)8/h2-3H,1H3
(3)InChIKey: YBHYECGRNFZJPC-UHFFFAOYAJ